5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride

C6H10ClNO2 — CID 155819897

IUPAC5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)C=CCN1.Cl
InChIInChI=1S/C6H9NO2.ClH/c1-6(5(8)9)3-2-4-7-6;/h2-3,7H,4H2,1H3,(H,8,9);1H
InChIKeyBRXILXBQDXKHPJ-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.41
Rot. Bonds1

About 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride

5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride (PubChem CID 155819897) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride
PubChem CID155819897
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)C=CCN1.Cl
InChIInChI=1S/C6H9NO2.ClH/c1-6(5(8)9)3-2-4-7-6;/h2-3,7H,4H2,1H3,(H,8,9);1H
InChIKeyBRXILXBQDXKHPJ-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride (CID 155819897) is 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride is CC1(C(=O)O)C=CCN1.Cl.
What is the InChIKey of 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride?
The InChIKey is BRXILXBQDXKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c1-6(5(8)9)3-2-4-7-6;/h2-3,7H,4H2,1H3,(H,8,9);1H.
What are the key properties of 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride?
5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-dihydropyrrole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 155819897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).